Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds.

ABSTRACT: The global need for renewable sources of energy has compelled researchers to explore new sources and improve the efficiency of the existing technologies. Solar energy is considered to be one of the best options to resolve climate and energy crises because of its long-term stability and pollution free energy production. Herein, we have synthesized a small acceptor compound (TPDR) and have utilized for rational designing of non-fullerene chromophores (TPD1-TPD6) using end-capped manipulation in A2-A1-D-A1-A2 configuration. The quantum chemical study (DFT/TD-DFT) was used to characterize the effect of end group redistribution through frontier molecular orbital (FMO), optical absorption, reorganization energy, open circuit voltage (Voc), photovoltaic properties and intermolecular charge transf

SUBMITTER: Khalid M 

PROVIDER: S-EPMC8497501 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature